Vitas-M small molecule compound
ethyl (5Z)-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374715
SMILES CCOc1cc(ccc1OCC(=O)OC)/C=C/1\SC(=C(C1=O)C(=O)OCC)Nc1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H27NO7S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO7S/c1-5-32-20-13-17(9-12-19(20)34-15-22(28)31-4)14-21-24(29)23(26(30)33-6-2)25(35-21)27-18-10-7-16(3)8-11-18/h7-14,27H,5-6,15H2,1-4H3/b21-14-InChIKey
JUDRGDMZAVUJFL-STZFKDTASA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)C)C(=O)OCC)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C1SC(=C(C1=O)C(=O)OCC)Nc1ccc(cc1)C
ETHYL(5Z)5((3ETHOXY4(2METHOXY2OXOETHOXY)PHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy4(2methoxy2oxoethoxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(3ETHOXY4(2METHOXY2OXOETHOXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC26H27NO7Sc1532201317(91219(20)341522(28)314)142124(29)23(26(30)3362)25(3521)271810716(3)81118h71427H5615H214H3b2114
MFCD02221136
ZINC000002969212
ZINC02969212
ZINC2969212
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